99735-45-2

Basic information

• Product Name: (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate
• Synonyms: (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate;(R)-5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylic acid;(R)-Methyl-5-oxo-1-((R)-phenethyl)pyrrolidine-3-carboxylate
• CAS NO: 99735-45-2
• Molecular Formula: C₁₄H₁₇NO₃
• Molecular Weight: 247
• Mol File: 99735-45-2.mol
• Article Data: 10

Chemical Properties

• Melting Point: 68-69 °C
• Boiling Point: 395.2±42.0 °C(Predicted)
• Appearance: /
• Density: 1.180±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C
• PKA: -1.99±0.40(Predicted)
• CAS DataBase Reference: (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate(99735-45-2)
• EPA Substance Registry System: (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate(99735-45-2)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 99735-45-2(Hazardous Substances Data)

Usage

General Description

(R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate is a chemical compound with a complex structure that includes a pyrrolidine ring and an ester functional group. It is a chiral compound, meaning it has a non-superimposable mirror image, and the (R) configuration in its name denotes the stereochemistry of the molecule. (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate may have potential applications in the field of pharmaceuticals, as it contains a pyrrolidine ring, which is a common structural motif in many biologically active compounds. Due to its chiral nature, (R)-methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate could also be used in asymmetric synthesis to produce chiral compounds with specific stereochemistry. Further research and investigation are needed to fully understand the properties and potential uses of this chemical compound.

Upstream product

• 67-56-1 methanol 
• 97-65-4 2-methylenesuccinic acid 
• 3886-69-9 (R)-1-phenyl-ethyl-amine 
• 617-52-7 Dimethyl itakonate 
• 2627-86-3 (S)-1-phenyl-ethylamine 
• 915302-94-2 (3RS)-1-<(R)-1-phenylethyl>-5-oxo-3-pyrrolidinecarboxylic acid 

Downstream Products

• 933719-76-7 (R)-1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid 
• 113558-92-2 C₁₂H₁₃NO₃ 
• 122423-40-9 (3S)-1-<(R)-1-phenylethyl>-3-(cyanomethyl)pyrrolidine 
• 99735-48-5 (3R)-1-<(R)-1-phenylethyl>-3-(chloromethyl)pyrrolidine 
• 122442-02-8 (S)-(+)-homo-β-proline 
• 122408-86-0 (3S)-1-<(R)-1-phenylethyl>pyrrolidine-3-acetic acid 
• 99735-49-6 Ethyl-[(S)-1-((R)-1-phenyl-ethyl)-pyrrolidin-3-ylmethyl]-amine 
• 5082-74-6 (R)-(+)-3-(hydroxymethyl)pyrrolidine 
• 865362-98-7 (1R,3R)-5-(2-oxo-2-phenyl-ethylidene)-1-(1-phenyl-ethyl)-pyrrolidine-3-carboxylic acid methyl ester 
• 99735-43-0 (3R)-1-((R)-1-phenylethyl)-5-oxo-3-pyrrolidinecarboxylic acid 
• 99735-47-4 (3R)-1-[(R)-1-phenylethyl]-3-(hydroxymethyl)pyrrolidine 

Relevant articles and documents

Design of novel HIV-1 protease inhibitors incorporating isophthalamide-derived P2-P3 ligands: Synthesis, biological evaluation and X-ray structural studies of inhibitor-HIV-1 protease complex

Based upon molecular insights from the X-ray structures of inhibitor-bound HIV-1 protease complexes, we have designed a series of isophthalamide-derived inhibitors incorporating substituted pyrrolidines, piperidines and thiazolidines as P2-P3 ligands for specific interactions in the S2-S3 extended site. Compound 4b has shown an enzyme Ki of 0.025 nM and antiviral IC50 of 69 nM. An X-ray crystal structure of inhibitor 4b-HIV-1 protease complex was determined at 1.33 ? resolution. We have also determined X-ray structure of 3b-bound HIV-1 protease at 1.27 ? resolution. These structures revealed important molecular insight into the inhibitor–HIV-1 protease interactions in the active site.

N-(1-HYDROXY-3-(PYRROLIDINYL)PROPAN-2-YL)PYRROLIDINE-3-CARBOXAMIDE DERIVATIVES AS GLUCOSYLCERAMIDE SYNTHASE INHIBITORS

Described herein are compounds of Formula I, methods of making such compounds, pharmaceutical compositions and medicaments containing such compounds, and compounds I for use to treat or prevent diseases or conditions associated with the enzyme glucosylceramide synthase (GCS).

4-Piperidines and 3-pyrrolidines as dual serotonin and noradrenaline reuptake inhibitors: Design, synthesis and structure-activity relationships

Single enantiomer [(aryloxy)(pyridinyl)methyl]piperidine and pyrrolidine derivatives 5-9 are inhibitors of monoamine reuptake. Structure-activity relationships established that monoamine reuptake inhibition are functions of amine, pyridine isomer, aryloxy ring substitution and stereochemistry. Consequently, selective NRIs, selective SRIs, dual SNRIs and triple SNDRIs were all identified. Dual SNRIs 5l-a and 9c were evaluated in additional pharmacology and pharmacokinetic studies as representative examples from this series.